Crystallography Open Database

Information card for entry 7157316

Preview

Coordinates	7157316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H10 Cl2 I N O
Calculated formula	C17 H10 Cl2 I N O
Title of publication	Sequential multicomponent site-selective synthesis of 4-iodo and 5-iodopyrrole-3-carboxaldehydes from a common set of starting materials by tuning the conditions.
Authors of publication	Choudhary, Sachin; Yadav, Jyothi; Mamta, ?; Pawar, Amol Prakash; Vanaparthi, Satheeshvarma; Mir, Nisar A.; Iype, Eldhose; Sharma, Ratika; Kant, Rajni; Kumar, Indresh
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	6
Pages of publication	1155 - 1164
a	6.6656 ± 0.0007 Å
b	19.4376 ± 0.0015 Å
c	13.2403 ± 0.0013 Å
α	90°
β	104.291 ± 0.011°
γ	90°
Cell volume	1662.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
249036 (current)	2020-03-05	cif/ Updating files of 7157315, 7157316 Original log message: Adding full bibliography for 7157315--7157316.cif.	7157316.cif
246996	2020-01-18	cif/ Adding structures of 7157315, 7157316 via cif-deposit CGI script.	7157316.cif